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133692-16-7 molecular structure
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5-bromo-4-methyl-1,3-thiazol-2-amine hydrochloride

ChemBase ID: 64291
Molecular Formular: C4H6BrClN2S
Molecular Mass: 229.52584
Monoisotopic Mass: 227.91235888
SMILES and InChIs

SMILES:
s1c(c(nc1N)C)Br.Cl
Canonical SMILES:
Nc1nc(c(s1)Br)C.Cl
InChI:
InChI=1S/C4H5BrN2S.ClH/c1-2-3(5)8-4(6)7-2;/h1H3,(H2,6,7);1H
InChIKey:
OTWSIBXEPMKIFH-UHFFFAOYSA-N

Cite this record

CBID:64291 http://www.chembase.cn/molecule-64291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-4-methyl-1,3-thiazol-2-amine hydrochloride
IUPAC Traditional name
5-bromo-4-methyl-1,3-thiazol-2-amine hydrochloride
Synonyms
5-Bromo-4-methyl-1,3-thiazol-2-amine hydrochloride
2-Amino-5-bromo-4-methyl-1,3-thiazole hydrochloride
2-Amino-5-bromo-4-methylthiazole hydrochloride
CAS Number
133692-16-7
MDL Number
MFCD09265523
PubChem SID
162030030
PubChem CID
18954728

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.437746  H Acceptors
H Donor LogD (pH = 5.5) 1.5438896 
LogD (pH = 7.4) 1.5533593  Log P 1.5534815 
Molar Refractivity 36.8143 cm3 Polarizability 14.104608 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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